[gmx-users] atom types of hydrogens

[Justin Lemkul]

On 4/9/19 11:26 AM, boshra.moradi.61 wrote:
>   Dear all,
>
> i'm new om gromacs and my molecule is D-glucosamine.i introduced it via
> inserting in aminoacids.rtp file.my question is how nominate four
> H-atoms . i want atomtypes.atp to find the atometype of these four atoms
> but i didn't find.i want you to guide me about this problem,could you
>

Most force fields should already have parameters for such a species. In 
any case, the information in the .atp file is likely inadequate but you 
can make the assignments based on the same moieties in residues defined 
within the .rtp file.

-Justin

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Justin A. Lemkul, Ph.D.
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